1-[(3R)-piperidin-3-yl]-2H-pyrimidine

C9H15N3 — CID 175783489

IUPAC1-[(3R)-piperidin-3-yl]-2H-pyrimidine
SMILESC1=CN([C@@H]2CCCNC2)CN=C1
InChIInChI=1S/C9H15N3/c1-3-9(7-10-4-1)12-6-2-5-11-8-12/h2,5-6,9-10H,1,3-4,7-8H2/t9-/m1/s1
InChIKeyXUVNWGIATMZOHB-SECBINFHSA-N
MW165.24 g/mol
LogP0.60
Rot. Bonds1

About 1-[(3R)-piperidin-3-yl]-2H-pyrimidine

1-[(3R)-piperidin-3-yl]-2H-pyrimidine (PubChem CID 175783489) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]-2H-pyrimidine.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]-2H-pyrimidine
PubChem CID175783489
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-[(3R)-piperidin-3-yl]-2H-pyrimidine
SMILESC1=CN([C@@H]2CCCNC2)CN=C1
InChIInChI=1S/C9H15N3/c1-3-9(7-10-4-1)12-6-2-5-11-8-12/h2,5-6,9-10H,1,3-4,7-8H2/t9-/m1/s1
InChIKeyXUVNWGIATMZOHB-SECBINFHSA-N
XLogP0.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]-2H-pyrimidine?
The IUPAC name of 1-[(3R)-piperidin-3-yl]-2H-pyrimidine (CID 175783489) is 1-[(3R)-piperidin-3-yl]-2H-pyrimidine.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]-2H-pyrimidine?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]-2H-pyrimidine is C1=CN([C@@H]2CCCNC2)CN=C1.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]-2H-pyrimidine?
The InChIKey is XUVNWGIATMZOHB-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-9(7-10-4-1)12-6-2-5-11-8-12/h2,5-6,9-10H,1,3-4,7-8H2/t9-/m1/s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]-2H-pyrimidine?
1-[(3R)-piperidin-3-yl]-2H-pyrimidine has a molecular weight of 165.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidin-3-yl]-2H-pyrimidine is sourced from PubChem (CID 175783489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).